5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane

C14H21FN2 — CID 91215274

IUPAC5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane
SMILESFC1C=CC=CC1=CCC1CCCNCCN1
InChIInChI=1S/C14H21FN2/c15-14-6-2-1-4-12(14)7-8-13-5-3-9-16-10-11-17-13/h1-2,4,6-7,13-14,16-17H,3,5,8-11H2
InChIKeyIBEACTSJEQAHFH-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.11
Rot. Bonds2

About 5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane

5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane (PubChem CID 91215274) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane.

Molecular Properties

Compound Name5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane
PubChem CID91215274
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane
SMILESFC1C=CC=CC1=CCC1CCCNCCN1
InChIInChI=1S/C14H21FN2/c15-14-6-2-1-4-12(14)7-8-13-5-3-9-16-10-11-17-13/h1-2,4,6-7,13-14,16-17H,3,5,8-11H2
InChIKeyIBEACTSJEQAHFH-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane?
The IUPAC name of 5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane (CID 91215274) is 5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane.
What is the SMILES notation for 5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane?
The canonical SMILES for 5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane is FC1C=CC=CC1=CCC1CCCNCCN1.
What is the InChIKey of 5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane?
The InChIKey is IBEACTSJEQAHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-14-6-2-1-4-12(14)7-8-13-5-3-9-16-10-11-17-13/h1-2,4,6-7,13-14,16-17H,3,5,8-11H2.
What are the key properties of 5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane?
5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane has a molecular weight of 236.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-fluorocyclohexa-2,4-dien-1-ylidene)ethyl]-1,4-diazocane is sourced from PubChem (CID 91215274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).